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CHEBI:8036 - Pfaffic acid

Default Structure
ChEBI IDCHEBI:8036
ChEBI NamePfaffic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILES[H][C@]12C[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@]43C)[C@@H]3C[C@@]1(C)CC[C@@]32C(=O)O
InChIInChI=1S/C29H44O3/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-22(24)30)8-7-17-18-15-25(3)13-14-29(18,23(31)32)21(25)16-28(17,27)6/h7,18-22,30H,8-16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22-,25+,26-,27+,28+,29+/m0/s1
InChIKeyAXDBORJNOUXIBC-FZVIGMKHSA-N
ChEBI Ontology
Outgoing Relation(s)
Pfaffic acid (CHEBI:8036) is a triterpenoid (CHEBI:36615)
Synonym  Source
Pfaffic acidKEGG COMPOUND
Manual XrefsDatabases
C00003539KNApSAcK
C08965KEGG COMPOUND
Registry NumbersSources
CAS:86432-14-6KEGG COMPOUND